SCHEMBL8329797

SCHEMBL8329797

CCOc1cccc(Nc2c(C(=O)O)cnc3nc(C)c(OCC)cc23)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.44
EGFR P00533 2/20 0.39
ERBB2 P04626 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
GRM5 P41594 6/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CREBBP Q92793 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8329796 0.91 THRB (0.46) MAPK8KDM4EALDH1A1THRBSMN1; SMN2
Hydrochloric Acid SCHEMBL8325645 0.90 THRB (0.45) MAPK8KDM4EALDH1A1THRBSMN1; SMN2
SCHEMBL8328843 0.83 MEN1 (0.42) EGFRERBB2KDM4EALDH1A1THRB
SCHEMBL8330323 0.83 MAPK8 (0.42) MAPK8GRM5SMN1; SMN2PKM
SCHEMBL8564146 0.79 CSF1R (0.50) EGFRERBB2THRBSMN1; SMN2MEN1
SCHEMBL8329674 0.79 MAPT (0.43) KDM4ESMN1; SMN2KMT2A
SCHEMBL8323951 0.79 MAPT (0.41) EGFRERBB2KDM4EALDH1A1THRB
SCHEMBL8329028 0.77 THRB (0.38) EGFRERBB2KDM4ETHRBMEN1
SCHEMBL8560369 0.77 MAPT (0.44) KDM4EALDH1A1SMN1; SMN2
SCHEMBL8330039 0.76 MAPT (0.44) MAPK8EGFRERBB2JAK2TYK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP claimed